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CAS 220798-39-0 3-(Methylsulfonyl)benzyl Alcohol molecular structure lightbox
CAS RN: 220798-39-0

3-(Methylsulfonyl)benzyl Alcohol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250218 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-106223
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 220798-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

220798-39-0 / (3-methylsulfonylphenyl)methanol

Standard CAS: 220798-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220798-39-0
Multi CAS
No
Molecular Formula
C8H10O3S
Molecular Weight
186.230000
Exact Mass
186.035065
SMILES
CS(=O)(=O)C1=CC=CC(=C1)CO
InChI
InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChIKey
XFMFNVYEANZUHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.47
TPSA
54.37

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
-0.3
Consensus LogP
0.26
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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